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9-Methylanthracene

CAT: 0804-HY-W009986-03Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W009986-03Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
9-Methylanthracene is a photoreactive agent. 9-Methylanthracene induces intramolecular and intermolecular [4+4] cycloaddition reactions via photochemical reactions to form dimers. 9-Methylanthracene is promising for research of photomechanical materials and light-responsive crystal dynamics[1][2].
CAS Number
779-02-2
UNSPSC
12352005
Hazard Statement
H302, H318, H410
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
97.0
Smiles
C=1C=CC2=C(C1)C=C3C=CC=CC3=C2C
Molecular Formula
C15H12
Molecular Weight
192.26
Precautions
H302, H318, H410
References & Citations
[1]Kim T, et al. Mechanism of photoinduced bending and twisting in crystalline microneedles and microribbons composed of 9-methylanthracene. J Am Chem Soc. 2014 May 7;136 (18) :6617-25.|[2]Deardurff L A, et al. Products and mechanism of the oxidation of 9-methylanthracene by peroxydisulfate. Proton loss and nucleophile addition reactions of the 9-methylanthracene radical cation[J]. The Journal of Organic Chemistry, 1986, 51 (19) : 3686-3693.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

9-Methylanthracene
CAS Number779-02-2
PubChem CID13068
IUPAC Name9-methylanthracene
Molecular FormulaC15H12
Molecular Weight192.25
XLogP5.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity198
SMILES
CC1=C2C=CC=CC2=CC3=CC=CC=C13
InChI
InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
InChIKey
CPGPAVAKSZHMBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Methylanthracene
CAS: 779-02-2
CID: 13068
Formula: C15H12
MW: 192.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.25
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass192.093900383
Monoisotopic Mass192.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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